7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide

C8H5BrFN3O — CID 118338379

IUPAC7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide
SMILESNC(=O)c1c(F)cc(Br)c2nc[nH]c12
InChIInChI=1S/C8H5BrFN3O/c9-3-1-4(10)5(8(11)14)7-6(3)12-2-13-7/h1-2H,(H2,11,14)(H,12,13)
InChIKeyHZYLBHMLDOCHEC-UHFFFAOYSA-N
MW258.05 g/mol
LogP1.56
Rot. Bonds1

About 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide

7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide (PubChem CID 118338379) has the molecular formula C8H5BrFN3O and a molecular weight of 258.05 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide
PubChem CID118338379
Molecular FormulaC8H5BrFN3O
Molecular Weight258.05 g/mol
Exact Mass256.96
IUPAC Name7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide
SMILESNC(=O)c1c(F)cc(Br)c2nc[nH]c12
InChIInChI=1S/C8H5BrFN3O/c9-3-1-4(10)5(8(11)14)7-6(3)12-2-13-7/h1-2H,(H2,11,14)(H,12,13)
InChIKeyHZYLBHMLDOCHEC-UHFFFAOYSA-N
XLogP1.56
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide (CID 118338379) is 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide is NC(=O)c1c(F)cc(Br)c2nc[nH]c12.
What is the InChIKey of 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide?
The InChIKey is HZYLBHMLDOCHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3O/c9-3-1-4(10)5(8(11)14)7-6(3)12-2-13-7/h1-2H,(H2,11,14)(H,12,13).
What are the key properties of 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide?
7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide has a molecular weight of 258.05 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 118338379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).